HRID136511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)C(=O)OC(c1nccn1C)c1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1C

HCID69196145

未命名化合物

结构：CN(C)C(=O)OC(c1ccccc1)c1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1C

HCID69197371

未命名化合物

PRODUCTS

生成物

结构：Cn1ccnc1C(O)c1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1C

HCID69195653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82f287be322b4bcd9f5e5fa2c415243e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][N:2]([CH3:3])[C:34]([O:4][CH:5]([c:6]1[n:7]([CH3:11])[cH:8][cH:9][n:10]1)[c:12]1[n:13]([CH3:33])[c:14](-[c:23]2[s:24][c:25]3[n:26][cH:27][n:28][c:29]([NH2:32])[c:30]3[n:31]2)[c:15](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:16]1)=[O:35].[CH3:36][N:37]([CH3:38])[C:39](=[O:40])[O:41][CH:42]([c:43]1[n:44]([CH3:45])[c:46](-[c:47]2[s:48][c:49]3[n:50][cH:51][n:52][c:53]([NH2:54])[c:55]3[n:56]2)[c:57](-[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[n:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[OH:4][CH:5]([c:6]1[n:7]([CH3:11])[cH:8][cH:9][n:10]1)[c:12]1[n:13]([CH3:33])[c:14](-[c:23]2[s:24][c:25]3[n:26][cH:27][n:28][c:29]([NH2:32])[c:30]3[n:31]2)[c:15](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[n:16]1