Benzoic Acid → HCID 12094555, compound

HRID 1117076Notes

Reaction equation

HRID 1117076 reaction equation
[CH2:47]([Cl:48])[Cl:49].[CH3:50][C:51]#[N:52].[CH:11]([N:12]=[C:13]=[N:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[OH2:53].[OH:1][c:2]1[c:3]2[n:4][n:5][nH:6][c:7]2[cH:8][cH:9][cH:10]1.[OH:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[c:29]1(-[c:35]2[n:36][nH:37][c:38](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[c:39]2[NH2:40])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH2:21]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[NH:40][c:39]1[c:35](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[n:36][nH:37][c:38]1-[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1

Participants

8

Reactant 7

HCID 243Benzoic AcidHCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 12734DiisopropylcarbodiimideHCID 726119HCID 726119, compoundHCID 178418300HCID 178418300, compound

Product 1

HCID 12094555HCID 12094555, compound

Sources & evidence

ORD record
ord-77d79969c29c43e59b0f040a5e07bd8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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