HRID112000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：Nc1nc2ccc(Oc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)c([N+](=O)[O-])c2s1

HCID86644696

3-[(2-amino-7-nitro-1,3-benzothiazol-6-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H13F3N4O4S

PRODUCTS

生成物

结构：O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2[N+](=O)[O-])c1

HCID59454505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8df53fd70ef40878a57daf13389f517
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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