HRID90784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7972

4-Methylmorpholine

C5H11NO

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

结构：CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID227274

未命名化合物

结构：CCOC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2nc[nH]c2n1

HCID178419102

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(COC(C)=O)C(OC(C)=O)C3OC(C)=O)c2n1

HCID178470283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c59329427d5c4e97b2d5f679968038ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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