HRID113085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID13400657

(Pyrrolidin-3-yl)methanol

C5H11NO

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C=O)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID60155267

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCC(CO)C4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID66611319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-304e913140ac47f6bbf7a4fde945f10e
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:56]([O:57][BH-:58]([O:59][C:60](=[O:61])[CH3:62])[O:63][C:64](=[O:65])[CH3:66])(=[O:67])[CH3:68].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:24][c:25]4[cH:26][n:27][c:28]([O:31][CH3:32])[cH:29][cH:30]4)[n:18][cH:19][c:20]([CH:21]=[O:22])[cH:23]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:33][c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[cH:42][cH:43]1.[CH3:54][OH:55].[Cl:51][CH2:52][Cl:53].[NH:44]1[CH2:45][CH:46]([CH2:49][OH:50])[CH2:47][CH2:48]1.[Na+:69]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]([c:9]2[n:10][c:11](-[c:16]3[c:17]([NH:24][c:25]4[cH:26][n:27][c:28]([O:31][CH3:32])[cH:29][cH:30]4)[n:18][cH:19][c:20]([CH2:21][N:44]4[CH2:45][CH:46]([CH2:49][OH:50])[CH2:47][CH2:48]4)[cH:23]3)[n:12][c:13]([CH3:15])[n:14]2)[CH2:33][c:34]2[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[cH:42][cH:43]1