HRID1144981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

结构：CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)N4CCC(NC(=O)C(F)(F)F)CC4)nc32)C(O)C1O

HCID178464980

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)N4CCC(N)CC4)nc32)C(O)C1O

HCID178464979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72d3c5e981514822b91a114cdc120fb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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