HRID121574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID151928

5-Methyl-2-(propan-2-yl)cyclohexyl carbonochloridate

C11H19ClO2

结构：O=C(Nc1ncc(C(c2ccccc2Cl)N2CCC(O)C2)s1)C1(c2ccc3c(c2)OCO3)CC1

HCID53440264

未命名化合物

PRODUCTS

生成物

结构：CC1CCC(C(C)C)C(OC(=O)OC2CCN(C(c3cnc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)s3)c3ccccc3Cl)C2)C1

HCID178424978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b3a7191cfd44911b76f335d36373834
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

[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[CH3:61][OH:62].[Cl:35][C:36](=[O:37])[O:38][CH:39]1[CH:40]([CH:46]([CH3:47])[CH3:48])[CH2:41][CH2:42][CH:43]([CH3:45])[CH2:44]1.[Cl:49][CH2:50][Cl:51].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[s:17][c:18]([CH:21]([N:22]4[CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]4)[c:28]4[c:29]([Cl:34])[cH:30][cH:31][cH:32][cH:33]4)[cH:19][n:20]3)[CH2:11][CH2:12]1)[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[s:17][c:18]([CH:21]([N:22]4[CH2:23][CH:24]([O:27][C:36](=[O:37])[O:38][CH:39]5[CH:40]([CH:46]([CH3:47])[CH3:48])[CH2:41][CH2:42][CH:43]([CH3:45])[CH2:44]5)[CH2:25][CH2:26]4)[c:28]4[c:29]([Cl:34])[cH:30][cH:31][cH:32][cH:33]4)[cH:19][n:20]3)[CH2:11][CH2:12]1)[cH:9]2