Water → HCID 54540276, compound
Reaction equation
[CH3:50][C:51]#[N:52].[CH:42]([NH:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:32][c:33]1[c:34]2[nH:35][cH:36][n:37][c:38]2[n:39][cH:40][n:41]1.[OH2:49].[c:1]1(-[c:7]2[n:8][c:9]([S:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][NH:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[nH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([S:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[c:33]3[c:34]4[nH:35][cH:36][n:37][c:38]4[n:39][cH:40][n:41]3)[nH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-e2f15d3f13714bf3965006ece0a5cf1c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…