HRID2347648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1068

Dimethyl sulfide

C2H6S

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

HCID8470

Trimethyl borate

C3H9BO3

结构：Cn1c2ccc(NC=O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O

HCID87899188

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc2c(c1)c1c3c(c(-c4ccccc4Cl)cc1n2C)C(=O)NC3=O

HCID21980832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a1f345240064f4ba7023f3067a78789
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[BH3:4].[CH3:1][S:2][CH3:3].[CH3:46][OH:47].[CH3:5][O:6][B:7]([O:8][CH3:9])[O:10][CH3:11].[Cl:12][c:13]1[c:14](-[c:19]2[cH:20][c:21]3[n:22]([CH3:40])[c:23]4[cH:24][cH:25][c:26]([NH:37][CH:38]=[O:39])[cH:27][c:28]4[c:29]3[c:30]3[c:31]2[C:32](=[O:36])[NH:33][C:34]3=[O:35])[cH:15][cH:16][cH:17][cH:18]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[Cl:12][c:13]1[c:14](-[c:19]2[cH:20][c:21]3[n:22]([CH3:40])[c:23]4[cH:24][cH:25][c:26]([NH:37][CH3:38])[cH:27][c:28]4[c:29]3[c:30]3[c:31]2[C:32](=[O:36])[NH:33][C:34]3=[O:35])[cH:15][cH:16][cH:17][cH:18]1