HRID283833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：Nc1c(Cl)cc(CC(CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc1C(F)(F)F

HCID22184601

未命名化合物

PRODUCTS

生成物

结构：Nc1c(Cl)cc(CC(CO)CC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)cc1C(F)(F)F

HCID22184595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9961c82461e45d8b2f7f98f264727e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH4-:39].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[ClH:41].[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37].[Na+:40].[OH2:47]>>[NH2:1][c:2]1[c:3]([Cl:38])[cH:4][c:5]([CH2:6][CH:7]([CH2:8][OH:9])[CH2:11][C:12]([N:13]2[CH2:14][CH2:15][CH:16]([N:19]3[C:20](=[O:30])[NH:21][c:22]4[c:23]([cH:26][cH:27][cH:28][cH:29]4)[CH2:24][CH2:25]3)[CH2:17][CH2:18]2)=[O:31])[cH:32][c:33]1[C:34]([F:35])([F:36])[F:37]