HRID171387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID643500

Cyclopentyl isocyanate

C6H9NO

结构：Cc1csc(CC(NS(=O)C(C)(C)C)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1

HCID72463475

未命名化合物

PRODUCTS

生成物

结构：Cc1csc(CC(NC(=O)NC2CCCC2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1

HCID66934252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-013d0dac7cee4d629c915d01cb4ae45c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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