HRID674051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

2 次

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

结构：COc1ccccc1OCC(O)CN1CCC(NCCNc2ccccc2)CC1

HCID23347339

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccccc1OCC(O)CN1CCC(N2CCN(c3ccccc3)C2=O)CC1

HCID21329371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b140d93381447aba0702649a54bfa9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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