HRID108247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(C)OC(=O)N1CC(CCl)c2ccc([N+](=O)[O-])cc21

HCID10828953

未命名化合物

结构：O=C(NCCN1CCOCC1)c1ccc2cc(C(=O)O)[nH]c2c1

HCID19608777

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCN1CCOCC1)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1

HCID389904

2-[[3-(chloromethyl)-6-nitroindolin-1-yl]carbonyl]-N-[2-(4-morpholinyl)ethyl]indole-6-carboxamide

C25H26ClN5O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1e637283ca142929fd11b71db55de85
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

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