HRID663991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID1514129

(3-chloropyrazin-2-yl)methanamine

C5H6ClN3

HCID3723035

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CCC(C(=O)NCc2nccnc2Cl)CC1)OCc1ccccc1

HCID59133170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c05a01e7f08a4669992e74e7863bd340
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

[CH2:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[O:49][C:50](=[O:51])[NH:52][CH2:53][CH:54]1[CH2:55][CH2:56][CH:57]([C:60](=[O:61])[OH:62])[CH2:58][CH2:59]1.[CH3:12][N:13]([CH3:14])[CH2:15][CH2:16][CH2:17][N:18]=[C:19]=[N:20][CH2:21][CH3:22].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:2][c:3]1[c:4]([CH2:9][NH2:10])[n:5][cH:6][cH:7][n:8]1.[Cl:63][CH2:64][Cl:65].[ClH:11].[ClH:1].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[Cl:2][c:3]1[c:4]([CH2:9][NH:10][C:60]([CH:57]2[CH2:56][CH2:55][CH:54]([CH2:53][NH:52][C:50]([O:49][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)=[O:51])[CH2:59][CH2:58]2)=[O:61])[n:5][cH:6][cH:7][n:8]1