Water → HCID 70009159, compound
Reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][n:6][c:7]([N:10]2[CH:11]([CH2:35][OH:36])[CH2:12][CH:13]([S:15][C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:14]2)[n:8][cH:9]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[O:56]=[C:57]1[NH:58][C:59](=[O:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]21.[OH2:67].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][n:6][c:7]([N:10]2[CH:11]([CH2:35][N:58]3[C:57](=[O:56])[c:66]4[c:61]([cH:62][cH:63][cH:64][cH:65]4)[C:59]3=[O:60])[CH2:12][CH:13]([S:15][C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:14]2)[n:8][cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-41189e6136e647a58b31a011c7163b0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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