HRID184302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6344

Dichloromethane

CH2Cl2

HCID15880

p-Chlorophenylacetic acid

C8H7ClO2

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(Cc1ccc(Cl)cc1)N1CCC(N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)CC1Cc1ccccc1

HCID54248332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f4a60542dfa400897d7d3a7861ab5f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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].[NH3:47].[OH:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([Cl:9])[cH:10][cH:11]1.[S:12]([Cl:13])([Cl:14])=[O:15]>>[C:2](=[O:3])([CH2:4][c:5]1[cH:6][cH:7][c:8]([Cl:9])[cH:10][cH:11]1)[N:24]1[CH:23]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:28][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)[CH2:26][CH2:25]1