HRID89444

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

Borohydride

BH4-

HCID68263

1,1'-Carbonyldiimidazole

C7H6N4O

HCID22184601

未命名化合物

PRODUCTS

产物

HCID22184595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-baf44606c07d433d8a228ccd78dfc956
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

[BH4-:51].[C:39]([n:40]1[cH:41][cH:42][n:43][cH:44]1)([n:45]1[cH:46][cH:47][n:48][cH:49]1)=[O:50].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[ClH:53].[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+:52].[OH2:59]>>[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]