HRID283127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID73241

2-Thiazolamine, 4-(4-chlorophenyl)-

C9H7ClN2S

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10035775

5-phenyl-4-isoxazolylacetic acid

C11H9NO3

PRODUCTS

生成物

结构：O=C(Cc1cnoc1-c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1

HCID22221307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3790868398474b99a71d2bdadea8aa0b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:41]([N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50])[CH3:51].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[ClH:40].[NH2:1][c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1.[OH2:29].[OH2:52].[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1.[c:14]1(-[c:20]2[c:21]([CH2:25][C:26](=[O:27])[OH:28])[cH:22][n:23][o:24]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH:1]([c:2]1[s:3][cH:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1)[C:26]([CH2:25][c:21]1[c:20](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[o:24][n:23][cH:22]1)=[O:27]