HRID2161299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)C(CC(=O)N1CCC(n2c(=O)[nH]c3c4ccccc4ncc32)CC1)Cc1cc(Cl)c(N)c(C(F)(F)F)c1

HCID68593425

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(n3c(=O)[nH]c4c5ccccc5ncc43)CC2)C(=O)O)cc1C(F)(F)F

HCID68590753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f78cc6961ec43c78f69b8b7c3f33fae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[NH2:1][c:2]1[c:3]([Cl:41])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[O:10][CH3:11])[CH2:12][C:13]([N:14]2[CH2:15][CH2:16][CH:17]([n:20]3[c:21](=[O:33])[nH:22][c:23]4[c:24]3[cH:25][n:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]43)[CH2:18][CH2:19]2)=[O:34])[cH:35][c:36]1[C:37]([F:38])([F:39])[F:40].[OH2:42]>>[NH2:1][c:2]1[c:3]([Cl:41])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:12][C:13]([N:14]2[CH2:15][CH2:16][CH:17]([n:20]3[c:21](=[O:33])[nH:22][c:23]4[c:24]3[cH:25][n:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]43)[CH2:18][CH2:19]2)=[O:34])[cH:35][c:36]1[C:37]([F:38])([F:39])[F:40]