HRID799647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID5811

3,5-Dichlorobenzoic acid

C7H4Cl2O2

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

结构：O=C(N(Cc1ccnc2ccccc12)C1CCNC(Cc2ccccc2)C1)C(F)(F)F

HCID54011634

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(Cl)cc(Cl)c1)N1CCC(N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)CC1Cc1ccccc1

HCID54336148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6ae08acb26241e58d003ffae9e89c43
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH:23]1[NH:24][CH2:25][CH2:26][CH:27]([N:29]([C:30]([C:31]([F:32])([F:33])[F:34])=[O:35])[CH2:36][c:37]2[cH:38][cH:39][n:40][c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]23)[CH2:28]1.[CH2:48]([Cl:49])[Cl:50].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([Cl:11])[cH:10]1.[NH3:47].[S:12]([Cl:13])([Cl:14])=[O:15]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[N:24]2[CH:23]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:28][CH:27]([N:29]([C:30]([C:31]([F:32])([F:33])[F:34])=[O:35])[CH2:36][c:37]3[cH:38][cH:39][n:40][c:41]4[cH:42][cH:43][cH:44][cH:45][c:46]34)[CH2:26][CH2:25]2)[cH:8][c:9]([Cl:11])[cH:10]1