HRID1554452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7902

Dimethylaminoethanol

C4H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：CC(C)(C)C(=O)OCC1OC(Oc2n[nH]c3nccc(CCc4ccc(OC(=O)C(C)(C)C)cc4)c23)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C

HCID178447516

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCn1nc(OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C)c2c(CCc3ccc(OC(=O)C(C)(C)C)cc3)ccnc21

HCID178483729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fbc25526f564b7fb5bb2ff90b61cff8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH:8]1[CH:9]([O:36][c:37]2[n:38][nH:39][c:40]3[n:41][cH:42][cH:43][c:44]([CH2:46][CH2:47][c:48]4[cH:49][cH:50][c:51]([O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[cH:52][cH:53]4)[c:45]23)[O:10][CH:11]([CH2:28][O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:12]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:13]1[O:14][C:15]([C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20].[CH3:61][N:62]([CH2:63][CH2:64][OH:65])[CH3:66].[O:86]=[C:87]([O:88][CH2:89][CH3:90])[N:91]=[N:92][C:93]([O:94][CH2:95][CH3:96])=[O:97].[O:98]1[CH2:99][CH2:100][CH2:101][CH2:102]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH:8]1[CH:9]([O:36][c:37]2[n:38][n:39]([CH2:64][CH2:63][N:62]([CH3:61])[CH3:66])[c:40]3[n:41][cH:42][cH:43][c:44]([CH2:46][CH2:47][c:48]4[cH:49][cH:50][c:51]([O:54][C:55]([C:56]([CH3:57])([CH3:58])[CH3:59])=[O:60])[cH:52][cH:53]4)[c:45]23)[O:10][CH:11]([CH2:28][O:29][C:30]([C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:12]([O:21][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:13]1[O:14][C:15]([C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20]