Hydrochloric Acid → Hydrochloric Acid

HRID 695479Notes

Reaction equation

HRID 695479 reaction equation
[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:1][O:2][c:3]1[cH:4][c:5]([N:9]=[C:10]=[O:11])[cH:6][cH:7][cH:8]1.[ClH:19].[ClH:20].[NH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][c:31]([NH:34][C:35](=[O:36])[CH:37]3[CH2:38][N:39]4[CH2:40][CH2:41][CH:42]3[CH2:43][CH2:44]4)[cH:32][cH:33]2)[cH:26][cH:27]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[NH:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[cH:29][cH:30][c:31]([NH:34][C:35](=[O:36])[CH:37]4[CH2:38][N:39]5[CH2:40][CH2:41][CH:42]4[CH2:43][CH2:44]5)[cH:32][cH:33]3)[cH:26][cH:27]2)[cH:6][cH:7][cH:8]1.[ClH:19]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 878433-Methoxyphenyl isocyanateHCID 72360311HCID 72360311, compound

Product 2

HCID 313Hydrochloric AcidHCID 71214149HCID 71214149, compound

Sources & evidence

ORD record
ord-65efb67938f048e684a9533ba3323167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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