HRID1549641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

结构：O=C(CCN1CC2CC=CCC1CN2c1ccc2ccccc2c1)c1csc2ccccc12

HCID69233296

未命名化合物

PRODUCTS

生成物

HCID69232591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e8812391fce432f996f680ad4de13c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[BH4-:34].[CH3:36][OH:37].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Na+:35].[Na+:39].[OH-:38].[s:1]1[c:2]2[c:3]([c:4]([C:6]([CH2:7][CH2:8][N:9]3[CH:10]4[CH2:11][CH:12]=[CH:13][CH2:14][CH:15]([CH2:16]3)[N:17]([c:19]3[cH:20][c:21]5[cH:22][cH:23][cH:24][cH:25][c:26]5[cH:27][cH:28]3)[CH2:18]4)=[O:29])[cH:5]1)[cH:30][cH:31][cH:32][cH:33]2>>[s:1]1[c:2]2[c:3]([c:4]([CH:6]([CH2:7][CH2:8][N:9]3[CH:10]4[CH2:11][CH:12]=[CH:13][CH2:14][CH:15]([CH2:16]3)[N:17]([c:19]3[cH:20][c:21]5[cH:22][cH:23][cH:24][cH:25][c:26]5[cH:27][cH:28]3)[CH2:18]4)[OH:29])[cH:5]1)[cH:30][cH:31][cH:32][cH:33]2