HRID101643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID7010344

2-(dimethylamino)acetyl chloride

C4H8ClNO

结构：CC(C)Oc1cc(OCCN2CCNCC2)cc2ncnc(Nc3c(Cl)cnc4c3OCO4)c12

HCID10051129

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(OCCN2CCN(C(=O)CN(C)C)CC2)cc2ncnc(Nc3c(Cl)cnc4c3OCO4)c12

HCID10008245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92612b9f49c1403cbc036c9aa0d322f1
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

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