HRID1210939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1cccc(COc2cccc(-c3c(-c4ccccc4)nnc4c(Cl)cccc34)c2)c1

HCID68578890

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(COc2cccc(-c3c(-c4ccccc4)nnc4c(Cl)cccc34)c2)c1)N1CCOCC1

HCID11854828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44fd12b746a64ee3bcd04a8696a57875
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:5]1[CH2:6][O:7][CH2:8][CH2:9][NH:10]1.[CH3:11][O:12][C:13]([c:14]1[cH:15][c:16]([CH2:20][O:21][c:22]2[cH:23][c:24](-[c:28]3[c:29](-[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[n:30][n:31][c:32]4[c:33]([Cl:38])[cH:34][cH:35][cH:36][c:37]34)[cH:25][cH:26][cH:27]2)[cH:17][cH:18][cH:19]1)=[O:45].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH2:5]1[CH2:6][O:7][CH2:8][CH2:9][N:10]1[C:13](=[O:12])[c:14]1[cH:15][c:16]([CH2:20][O:21][c:22]2[cH:23][c:24](-[c:28]3[c:29](-[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[n:30][n:31][c:32]4[c:33]([Cl:38])[cH:34][cH:35][cH:36][c:37]34)[cH:25][cH:26][cH:27]2)[cH:17][cH:18][cH:19]1