HRID1540876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID54412263

未命名化合物

HCID60209911

未命名化合物

PRODUCTS

生成物

结构：COCC1C(=O)N(Cc2cnc(SC)nc2)CCN1C(=O)OCc1ccccc1

HCID68900375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a318b243ea7f40c183074b2b73de1185
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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