HRID201999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID14504

1-Methyl-1H-pyrrole-2-carboxaldehyde

C6H7NO

HCID28123

Tetrahydroborate

H4B-

结构：Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(NC(CN)c2ccccc2)CC1

HCID178426137

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(NC(CNCc2cccn2C)c2ccccc2)CC1

HCID178426138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c6575710d27403cba3fe4a7c0f06c14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH4-:41].[CH3:33][n:34]1[c:35]([CH:39]=[O:40])[cH:36][cH:37][cH:38]1.[CH3:45][OH:46].[Cl-:43].[NH2:1][CH2:2][CH:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][CH:11]1[CH2:12][CH2:13][N:14]([CH:17]([CH2:18][CH2:19][NH:20][C:21]([c:22]2[c:23]([CH3:30])[n:24][c:25]([Cl:29])[cH:26][c:27]2[CH3:28])=[O:31])[CH3:32])[CH2:15][CH2:16]1.[NH4+:44].[Na+:42]>>[NH:1]([CH2:2][CH:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][CH:11]1[CH2:12][CH2:13][N:14]([CH:17]([CH2:18][CH2:19][NH:20][C:21]([c:22]2[c:23]([CH3:30])[n:24][c:25]([Cl:29])[cH:26][c:27]2[CH3:28])=[O:31])[CH3:32])[CH2:15][CH2:16]1)[CH2:39][c:35]1[n:34]([CH3:33])[cH:38][cH:37][cH:36]1