HRID153913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7010344

2-(dimethylamino)acetyl chloride

C4H8ClNO

结构：COc1cc(C(=O)NC2CCNCC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253065

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C(=O)CN(C)C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb9677898ff4972a14278c6b98b70ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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