HRID124069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6422

未命名化合物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccncc5)CCN(C(=O)OC(C)(C)C)CC4)c3F)s2)c1

HCID59321391

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccncc5)CCNCC4)c3F)s2)c1

HCID59321425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ca693d61a14721a92d02a6d26c68b8
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

[Cl:45][CH2:46][CH2:47][Cl:48].[F:1][c:2]1[c:3]([C:22](=[O:23])[NH:24][CH2:25][C:26]2([c:39]3[cH:40][cH:41][n:42][cH:43][cH:44]3)[CH2:27][CH2:28][N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]2)[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1.[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55]>>[F:1][c:2]1[c:3]([C:22](=[O:23])[NH:24][CH2:25][C:26]2([c:39]3[cH:40][cH:41][n:42][cH:43][cH:44]3)[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1