HRID1574014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1c(N2CC3CN(Cc4ccccc4)CC3C2)nn2c(-c3ccnc(NC(=O)OC(C)(C)C)c3)c(-c3ccc(F)cc3)nc2c1C

HCID59406975

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2CC3CN(Cc4ccccc4)CC3C2)nn2c(-c3ccnc(N)c3)c(-c3ccc(F)cc3)nc2c1C

HCID59406958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9abf563243144e1d87468f1d2d613160
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[c:17]([CH3:47])[c:18]([CH3:46])[c:19]3[n:20]([n:21]1)[c:22](-[c:32]1[cH:33][c:34]([NH:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[n:35][cH:36][cH:37]1)[c:23](-[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)[n:24]3)[CH2:15]2.[Cl:57][CH2:58][Cl:59].[NH3:56].[OH2:55].[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH2:13][N:14]([c:16]1[c:17]([CH3:47])[c:18]([CH3:46])[c:19]3[n:20]([n:21]1)[c:22](-[c:32]1[cH:33][c:34]([NH2:38])[n:35][cH:36][cH:37]1)[c:23](-[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)[n:24]3)[CH2:15]2