HRID675707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID7877

tert-Butylacrylamide

C7H13NO

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CN)nc32)C(O)C1O

HCID18348423

未命名化合物

PRODUCTS

生成物

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNCCC(=O)NC(C)(C)C)nc32)C(O)C1O

HCID18348486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b98b00b7ae5a4fdda89475e7ddcf5484
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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