Chloride → HCID 178522131, compound

HRID 112135Notes

Reaction equation

HRID 112135 reaction equation
[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl-:20].[Cl:51][CH2:52][Cl:53].[NH2:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[N:28]2[CH2:29][CH:30]3[N:31]([S:32](=[O:39])(=[O:40])[c:33]4[c:34]2[cH:35][cH:36][cH:37][cH:38]4)[CH2:41][CH2:42][CH2:43]3)[cH:44][cH:45]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:54].[S:16]([Cl:17])([Cl:18])=[O:19].[c:1]1(-[c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[c:1]1(-[c:7]2[c:8]([C:9](=[O:11])[NH:21][c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[N:28]4[CH2:29][CH:30]5[N:31]([S:32](=[O:39])(=[O:40])[c:33]6[c:34]4[cH:35][cH:36][cH:37][cH:38]6)[CH2:41][CH2:42][CH2:43]5)[cH:44][cH:45]3)[cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 70357o-Phenylbenzoic acidHCID 178507636HCID 178507636, compound

Product 1

HCID 178522131HCID 178522131, compound

Sources & evidence

ORD record
ord-968665ab3c21410386b878b58863f988
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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