Water → HCID 178453852, compound

HRID 2310206Notes

Reaction equation

[C:59]([CH3:60])([CH3:61])([CH3:62])[O:63][C:64](=[O:65])[NH:66][CH2:67][CH2:68][S:69][CH2:70][c:71]1[cH:72][n:73][cH:74][cH:75][c:76]1[Cl:77].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[OH2:78].[c:1]1([CH:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][C:15](=[O:16])[C:17]2=[C:24]([SH:25])[CH2:23][CH2:22][CH:21]3[N:18]2[C:19](=[O:58])[CH:20]3[NH:26][C:27]([C:28](=[N:29][O:30][C:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[n:51][c:52]([NH2:56])[s:53][c:54]2[Cl:55])=[O:57])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][C:15](=[O:16])[C:17]2=[C:24]([S:25][c:76]3[c:71]([CH2:70][S:69][CH2:68][CH2:67][NH:66][C:64]([O:63][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:65])[cH:72][n:73][cH:74][cH:75]3)[CH2:23][CH2:22][CH:21]3[N:18]2[C:19](=[O:58])[CH:20]3[NH:26][C:27]([C:28](=[N:29][O:30][C:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[n:51][c:52]([NH2:56])[s:53][c:54]2[Cl:55])=[O:57])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

Reactant 4

HCID 962Water

HCID 6228Dimethylformamide

HCID 10804366HCID 10804366, compound

HCID 178508498HCID 178508498, compound

Product 1

HCID 178453852HCID 178453852, compound

Sources & evidence

ORD record: ord-a550c2b8ae0d44708ee317ee2d0600a7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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