HRID697848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID522162

2,6-Difluorophenyl isocyanate

C7H3F2NO

结构：Cc1cc(Nc2ncnc3cnc(F)cc23)ccc1OC1CCNCC1

HCID69051976

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2ncnc3cnc(F)cc23)ccc1OC1CCN(C(=O)Nc2c(F)cccc2F)CC1

HCID86595237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a6d2b9d3de6446cb7e7c4440e803912
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

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