Benzoic Acid → HCID 178519459, compound

HRID 312869Notes

Reaction equation

HRID 312869 reaction equation
[CH2:67]([Cl:68])[Cl:69].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][cH:26]1)[O:6][c:7]1[c:8]([cH:21][cH:22][cH:23][cH:24]1)[C:9]([N:11]1[CH2:12][CH2:13][N:14]3[CH2:15][CH:16]([OH:20])[CH2:17][CH:18]3[CH2:19]1)=[N:10]2.[O:55]=[C:56]([O:57][CH2:58][CH3:59])[N:60]=[N:61][C:62]([O:63][CH2:64][CH3:65])=[O:66].[OH:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:25][cH:26]1)[O:6][c:7]1[c:8]([cH:21][cH:22][cH:23][cH:24]1)[C:9]([N:11]1[CH2:12][CH2:13][N:14]3[CH2:15][CH:16]([C:28](=[O:27])[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:17][CH:18]3[CH2:19]1)=[N:10]2

Participants

6

Reactant 5

HCID 243Benzoic AcidHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 21459971HCID 21459971, compound

Product 1

HCID 178519459HCID 178519459, compound

Sources & evidence

ORD record
ord-871c721f4b7d4290a61ff5886d07e76e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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