HRID1560015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID138661

2-Chloroethyl isothiocyanate

C3H4ClNS

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(F)c(N)cc2n1Cc1ccccc1

HCID59762400

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(F)c(NC3=NCCS3)cc2n1Cc1ccccc1

HCID59762419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-421652bdd83149a7a169da70c893675f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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