HRID2310602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID22989264

未命名化合物

结构：O=c1n(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccc(Cl)nn12

HCID23000307

未命名化合物

PRODUCTS

生成物

结构：O=c1n(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn12

HCID23000309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc6d59c331314821af4ac2ee347c1298
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

[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:27][c:28]1[cH:29][cH:30][c:31]2[n:32]([n:33]1)[c:34](=[O:56])[n:35]([C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[n:36]2.[H-:25].[Na+:26].[OH2:57].[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][OH:18])[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:28]3[cH:29][cH:30][c:31]4[n:32]([n:33]3)[c:34](=[O:56])[n:35]([C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[n:36]4)[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1