HRID1151657

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-

HCID22989216

未命名化合物

HCID22989264

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)c1nc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2c1Cl

HCID22989285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33624598e1a84fb78d96004540585764
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:27][c:28]1[c:29]([C:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])([CH3:44])[CH3:45])[n:30][c:31]2[n:32]1[n:33][c:34]([Cl:37])[cH:35][cH:36]2.[H-:25].[Na+:26].[OH2:46].[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:34]3[n:33][n:32]4[c:28]([Cl:27])[c:29]([C:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])([CH3:44])[CH3:45])[n:30][c:31]4[cH:36][cH:35]3)[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