HRID2320963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

HCID426818

未命名化合物

结构：CCCCc1nc(CC(C(=O)O)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

HCID22012325

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(CC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

HCID178441639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c53b968bf4f34225b3b11d7901feead1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:27][CH2:28][CH2:29][CH3:30])[n:10][c:11]([CH2:13][CH:14]([C:15](=[O:16])[OH:17])[c:18]2[cH:19][c:20]3[c:21]([cH:22][cH:23]2)[O:24][CH2:25][O:26]3)[cH:12]1.[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[O:39][C:40]([CH:41]([NH2:42])[CH2:43][c:44]1[cH:45][nH:46][c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]12)=[O:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[CH3:83][CH2:84][O:85][C:86](=[O:87])[CH3:88].[ClH:31].[c:61]1([P:62]([N:63]=[N+:64]=[N-:65])([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)=[O:72])[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:27][CH2:28][CH2:29][CH3:30])[n:10][c:11]([CH2:13][CH:14]([C:15](=[O:16])[NH:42][CH:41]([C:40]([O:39][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)=[O:53])[CH2:43][c:44]2[cH:45][nH:46][c:47]3[cH:48][cH:49][cH:50][cH:51][c:52]23)[c:18]2[cH:19][c:20]3[c:21]([cH:22][cH:23]2)[O:24][CH2:25][O:26]3)[cH:12]1