Water → HCID 4451, compound

HRID 298115Notes

Reaction equation

HRID 298115 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:18][CH:19]([OH:20])[CH:21]2[N:22]=[C:23]([c:26]3[c:27]([CH3:33])[c:28]([OH:32])[cH:29][cH:30][cH:31]3)[O:24][CH2:25]2)[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[OH2:48].[SH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:18][CH:19]([OH:20])[CH:21]([NH:22][C:23](=[O:24])[c:26]2[c:27]([CH3:33])[c:28]([OH:32])[cH:29][cH:30][cH:31]2)[CH2:25][S:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 7969ThiophenolHCID 8471TriethylamineHCID 21348682HCID 21348682, compound

Product 1

HCID 4451HCID 4451, compound

Sources & evidence

ORD record
ord-b4410e987619442ba935d69b6a6ab90d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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