Hydrochloric Acid → Hydrochloric Acid

HRID 1241051Notes

Reaction equation

HRID 1241051 reaction equation
[C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:49][S:50]([CH3:51])=[O:52].[ClH:1].[OH2:43].[s:2]1[n:3][c:4]([N:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][c:19]3[cH:20][c:21]([CH3:26])[c:22]([NH2:25])[cH:23][cH:24]3)[CH2:15][CH2:16]2)[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2>>[ClH:42].[s:2]1[n:3][c:4]([N:11]2[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][c:19]3[cH:20][c:21]([CH3:26])[c:22]([NH:25][C:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)=[O:41])[cH:23][cH:24]3)[CH2:15][CH2:16]2)[c:5]2[c:6]1[cH:7][cH:8][cH:9][cH:10]2

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 7412Benzoyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 21963168HCID 21963168, compound

Product 2

HCID 313Hydrochloric AcidHCID 21963410HCID 21963410, compound

Sources & evidence

ORD record
ord-9946367ea4b24402a2a958b0e8915b29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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