HRID95715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID66589770

未命名化合物

HCID178489815

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3ccc(N4CCCN(C(C)C)CC4)s3)[nH]n2)cc(OC)c1

HCID178489766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c736f5dc1ca4556927331d7c53a595d
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

[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:23][CH:24]([CH3:25])[N:26]1[CH2:27][CH2:28][N:29]([c:33]2[cH:34][cH:35][c:36]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[s:37]2)[CH2:30][CH2:31][CH2:32]1.[CH3:43][OH:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH2:22])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1>>[CH3:5][O:6][c:7]1[cH:8][c:9]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([NH:22][C:38]([c:36]3[cH:35][cH:34][c:33]([N:29]4[CH2:28][CH2:27][N:26]([CH:24]([CH3:23])[CH3:25])[CH2:32][CH2:31][CH2:30]4)[s:37]3)=[O:39])[nH:20][n:21]2)[cH:10][c:11]([O:13][CH3:14])[cH:12]1