Water → HCID 178435424, compound

HRID 1216072Notes

Reaction equation

HRID 1216072 reaction equation
[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[Cl:59][c:60]1[c:61]([N:66]=[C:67]=[O:68])[cH:62][cH:63][cH:64][cH:65]1.[NH2:23][CH:24]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[n:38][n:39][c:40]2[n:41]1-[c:42]1[c:43]([cH:54][c:55]([CH2:57][CH3:58])[s:56]1)[C:44]([c:47]1[c:48]([Cl:53])[cH:49][cH:50][cH:51][cH:52]1)=[N:45][CH2:46]2.[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:76].[c:12]1([CH3:13])[cH:14][cH:15][c:16]([S:17]([OH:18])(=[O:19])=[O:20])[cH:21][cH:22]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:23]([CH:24]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[n:38][n:39][c:40]2[n:41]1-[c:42]1[c:43]([cH:54][c:55]([CH2:57][CH3:58])[s:56]1)[C:44]([c:47]1[c:48]([Cl:53])[cH:49][cH:50][cH:51][cH:52]1)=[N:45][CH2:46]2)[C:67]([NH:66][c:61]1[c:60]([Cl:59])[cH:65][cH:64][cH:63][cH:62]1)=[O:68]

Participants

7

Reactant 6

HCID 962WaterHCID 6101p-Toluenesulfonic acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 76833Chlorophenyl isocyanateHCID 178435428HCID 178435428, compound

Product 1

HCID 178435424HCID 178435424, compound

Sources & evidence

ORD record
ord-8071dce46692403aa4c41e610393a565
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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