HRID94781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N1CCC(Oc2ccnc(Nc3cc(N)cc(-c4cnc(C5(O)CCC5)s4)c3)n2)CC1

HCID67430891

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(Nc2nccc(OC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc(-c2cnc(C3(O)CCC3)s2)c1

HCID67432798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ce5b2f58f3c4aed84131efface5789d
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

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