HRID176970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID83262

Cyclohexyl carbonochloridate

C7H11ClO2

结构：COC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccc1

HCID18412702

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OC3CCCCC3)cc1)n2C)c1ccccc1

HCID140435600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96197d3d0f634997b70a8013d6e62a9c
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

[CH2:48]([OH:49])[CH3:50].[Cl:38][C:39](=[O:40])[O:41][CH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[Cl:51][CH2:52][Cl:53].[ClH:1].[c:2]1([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26]([NH2:27])=[NH:28])[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:29])[c:16]([CH2:18][NH:19][c:20]4[cH:21][cH:22][c:23]([C:26](=[NH:27])[NH:28][C:39](=[O:40])[O:41][CH:42]5[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]5)[cH:24][cH:25]4)[n:17]3)[cH:30][cH:31]2)[CH2:32][CH2:33][C:34](=[O:35])[O:36][CH3:37])[cH:3][cH:4][cH:5][cH:6][cH:7]1