HRID1564068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID8713

2-Aminobenzenethiol

C6H7NS

HCID96588

Benzothiazoline

C7H7NS

结构：O=C(Cl)c1ccc(OCc2ccccc2)c(C(F)(F)F)c1

HCID86668175

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(OCc2ccccc2)c(C(F)(F)F)c1)N1CSc2ccccc21

HCID68108976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62b0cf06465143c48a31e8f5512699ad
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

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