HRID200188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C(CNC(=O)OC(C)(C)C)C(=O)O

HCID178449390

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C(CNC(=O)OC(C)(C)C)C(=O)NCCO

HCID178449389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac27ba5035cf4365976e21abdf94cf41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]([N:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[c:18]1[c:19]([NH:28][CH2:29][c:30]2[o:31][cH:32][cH:33][cH:34]2)[n:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[n:22][cH:23]1)[C:35](=[O:36])[OH:37].[C:56](=[O:57])([O-:58])[OH:59].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[NH2:38][CH2:39][CH2:40][OH:41].[Na+:60].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]([N:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[c:18]1[c:19]([NH:28][CH2:29][c:30]2[o:31][cH:32][cH:33][cH:34]2)[n:20][c:21]([C:24]([CH3:25])([CH3:26])[CH3:27])[n:22][cH:23]1)[C:35](=[O:37])[NH:38][CH2:39][CH2:40][OH:41]