HRID196620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID300166

Ethoxycarbonyl isocyanate

C4H5NO3

结构：CCN(CC)c1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2-c2ccc(N(CC)CC)cc2)cc1

HCID136006555

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NC(=O)n1c(-c2cc(OC)c(O)c(OC)c2)nc(-c2ccc(N(CC)CC)cc2)c1-c1ccc(N(CC)CC)cc1

HCID136032757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaa199b5762e4876b10a1a66553b9c1a
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

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